Molecule ID: mol5987
SMILES: Nc1ccc([N+](=O)[O-])cc1N
InChI: InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.75 | QSARToolbox | 2 » 1 |
| 1.39 | QSARToolbox | 1 » 0 |
| 2.61 | QSARToolbox | 1 » 0 |
| 2.61 | QSARToolbox | 1 » 0 |
| 2.61 | IUPAC digitized pKa | 1 » 0 |
| 2.61 | OCHEM | 1 » 0 |
| 3.17 | QSARToolbox | 1 » 0 |